Orca 4.2.1 RELEASE 1 2 3 4 5 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 S O N C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 1 2 3 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 194.18879999999996 AuxInfo=1/0/N:11,10,8,6,4,5,7,13,9,14,12,3,2,1/CRV:8.3,10.3,11.3,13.1/rA:33nSO1NCCCCCCCCC3C3C3HHHHHHHHHHHHHHHHHHH/rB:;s1;;s4;s4;s5;s6;s3s7;s8;s10;s2s3;s12;s1s13;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s11;s13;s14;/rC:-1.9156,1.3333,-1.1843;-3.4142,-1.4114,.9145;-2.2203,-.2483,-.6604;1.8425,-1.3863,.7903;.3447,-1.3237,.505;2.6163,-.1451,.359;-.0001,-1.3131,-.978;4.0872,-.1943,.752;-1.4963,-1.3599,-1.2518;4.8695,1.0416,.3259;6.3363,.9816,.7234;-3.0931,-.3496,.3954;-3.5424,.9886,.7525;-2.9898,1.9508,-.0014;2.2701,-2.2712,.3056;1.9853,-1.5346,1.8654;-.0711,-.4349,.9911;-.1458,-2.1819,.9747;2.1503,.7414,.8044;2.5429,-.0116,-.7251;.4436,-2.1848,-1.4681;.4378,-.4401,-1.4714;4.5511,-1.0848,.3127;4.1692,-.3169,1.8379;-1.9328,-2.2653,-.8305;-1.691,-1.383,-2.3262;4.7907,1.1653,-.7589;4.4088,1.9322,.7652;6.4526,.8947,1.8058;6.8368,.1227,.2712;6.8752,1.8766,.408;-4.2452,1.1642,1.5529;-3.1538,3.0168,.0609; Method DFT(GTOs) Exchange WB97X-D3 Correlation WB97X-D3 PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.195728 ScalDFX 0.000000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on Amount of maximum screened exact exchange 0.804272 Range separation parameter mu (erf(mu*r12)/r12) 0.250000 RI-approximation to the Coulomb term is turned on Number of auxiliary basis functions 897 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 116 Dim 711 ENuc 996.0237766471 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVNR off CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package LIBINT DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 4.231e-05 Time for diagonalization 0.163 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.108 sec Total time needed 0.274 sec 16 8 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.18879999999996 AuxInfo=1/0/N:11,10,8,6,4,5,7,13,9,14,12,3,2,1/CRV:8.3,10.3,11.3,13.1/rA:33nSO1NCCCCCCCCC3C3C3HHHHHHHHHHHHHHHHHHH/rB:;s1;;s4;s4;s5;s6;s3s7;s8;s10;s2s3;s12;s1s13;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s11;s13;s14;/rC:-1.9156,1.3333,-1.1843;-3.4142,-1.4114,.9145;-2.2203,-.2483,-.6604;1.8425,-1.3863,.7903;.3447,-1.3237,.505;2.6163,-.1451,.359;-.0001,-1.3131,-.978;4.0872,-.1943,.752;-1.4963,-1.3599,-1.2518;4.8695,1.0416,.3259;6.3363,.9816,.7234;-3.0931,-.3496,.3954;-3.5424,.9886,.7525;-2.9898,1.9508,-.0014;2.2701,-2.2712,.3056;1.9853,-1.5346,1.8654;-.0711,-.4349,.9911;-.1458,-2.1819,.9746;2.1503,.7414,.8044;2.5429,-.0116,-.7251;.4436,-2.1848,-1.4681;.4378,-.4401,-1.4714;4.5511,-1.0848,.3127;4.1692,-.3169,1.8379;-1.9328,-2.2653,-.8305;-1.691,-1.383,-2.3262;4.7907,1.1653,-.7589;4.4088,1.9322,.7652;6.4526,.8947,1.8058;6.8368,.1227,.2712;6.8752,1.8766,.408;-4.2452,1.1642,1.5529;-3.1538,3.0168,.0609; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX GRIDX6 NOFINALGRIDX grid4 nofinalgrid scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 8 cpcm smd true smdsolvent "1-OCTANOL" 194.18879999999996 AuxInfo=1/0/N:11,10,8,6,4,5,7,13,9,14,12,3,2,1/CRV:8.3,10.3,11.3,13.1/rA:33nSO1NCCCCCCCCC3C3C3HHHHHHHHHHHHHHHHHHH/rB:;s1;;s4;s4;s5;s6;s3s7;s8;s10;s2s3;s12;s1s13;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s11;s13;s14;/rC:-1.9156,1.3333,-1.1843;-3.4142,-1.4114,.9145;-2.2203,-.2483,-.6604;1.8425,-1.3863,.7903;.3447,-1.3237,.505;2.6163,-.1451,.359;-.0001,-1.3131,-.978;4.0872,-.1943,.752;-1.4963,-1.3599,-1.2518;4.8695,1.0416,.3259;6.3363,.9816,.7234;-3.0931,-.3496,.3954;-3.5424,.9886,.7525;-2.9898,1.9508,-.0014;2.2701,-2.2712,.3056;1.9853,-1.5346,1.8654;-.0711,-.4349,.9911;-.1458,-2.1819,.9747;2.1503,.7414,.8044;2.5429,-.0116,-.7251;.4436,-2.1848,-1.4681;.4378,-.4401,-1.4714;4.5511,-1.0848,.3127;4.1692,-.3169,1.8379;-1.9328,-2.2653,-.8305;-1.691,-1.383,-2.3262;4.7907,1.1653,-.7589;4.4088,1.9322,.7652;6.4526,.8947,1.8058;6.8368,.1227,.2712;6.8752,1.8766,.408;-4.2452,1.1642,1.5529;-3.1538,3.0168,.0609; Epsilon 9.8629 Refrac 1.0000 Rsolv 1.3000 Surface type GEPOL SES Epsilon function type CPCM S O N C H 2.4900 1.6280 1.8900 1.8500 1.2000 Solvent: 1-OCTANOL Soln 1.4295 Soln25 1.4279 Sola 0.3700 Solb 0.4800 Solg 39.0100 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.3s) GEPOL surface points 1283 GEPOL Volume 1752.2806 GEPOL Surface-area 943.2586 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.1s) Overall time for CPCM initialization 0.4s -958.86579425 996.02377665 -1954.88957090 -3286.44256413 1331.55299323 -0.02071942 -1914.38201782 955.51622357 2.00350551 58.000021007960 58.000021007960 116.000042015921 -75.344725264594 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2422.0787 -522.4460 -394.0979 -282.5890 -281.1054 -280.6276 -279.9478 -279.4480 -279.2484 -279.1728 -279.1711 -279.1232 -279.1128 -278.9805 -220.4970 -164.8727 -164.7004 -164.5863 -31.7086 -29.5985 -26.0774 -25.1431 -24.4274 -23.4320 -23.3464 -22.2168 -20.8148 -19.8233 -19.2924 -18.5299 -18.4374 -17.8551 -16.4879 -15.9041 -15.7065 -15.4553 -14.9724 -14.7776 -14.4598 -14.3751 -14.0379 -13.8446 -13.6423 -12.9455 -12.8167 -12.7062 -12.4863 -12.1930 -12.0591 -11.7938 -11.4462 -11.1584 -11.0642 -10.9050 -10.6593 -10.0597 -10.0100 -8.4893 1.0108 1.6884 3.3537 3.5690 3.7098 3.8991 4.0677 4.1231 4.3188 4.4261 4.6892 4.7793 4.9182 5.3595 5.4488 5.5646 5.7245 5.8601 5.9293 5.9918 6.0686 6.2885 6.5150 6.7246 6.9312 7.0192 7.0838 7.2595 7.4356 7.6544 7.8567 7.9333 8.1544 8.3695 8.5541 8.6409 8.8136 9.0919 9.2016 9.4157 9.5044 9.6762 10.0895 10.1571 10.2901 10.5086 10.5557 10.7950 10.9717 11.1050 11.2351 11.4254 11.5895 11.7151 11.9690 12.0626 12.2686 12.4958 12.7129 12.8037 13.1878 13.2855 13.3916 13.5698 13.7725 13.7943 13.9852 14.0935 14.1826 14.4105 14.5078 14.5695 14.6573 14.7893 14.8584 14.9663 15.0819 15.3079 15.4067 15.4959 15.6567 15.7911 15.8905 15.9414 16.0574 16.1797 16.3796 16.4795 16.8312 17.1629 17.2064 17.5038 17.7217 17.7807 18.0037 18.5102 18.6514 18.8049 18.9200 18.9662 19.4582 19.6417 19.8396 20.2211 20.3218 20.5321 20.7476 20.9305 21.2875 21.4424 22.0596 22.2201 22.3765 22.8874 23.1898 23.2976 23.6173 23.7293 23.8646 23.8788 23.9713 24.1370 24.5913 24.6666 25.0757 25.2706 25.9827 26.2397 26.3167 26.5995 26.7159 26.8803 27.1661 27.2585 27.6669 27.7838 28.1616 28.4791 28.6132 29.1464 29.4325 29.5271 29.6454 29.9069 30.3044 30.6964 30.7964 30.8701 31.0955 31.2706 31.4856 31.7879 32.0605 32.1365 32.3270 32.4828 32.7327 32.9068 32.9767 33.1209 33.3958 33.4233 33.7434 33.8025 34.1170 34.2287 34.4067 34.5897 34.8533 34.9385 35.0898 35.4226 35.5957 35.7950 35.9623 36.2694 36.3585 36.7947 36.8875 37.2295 37.5254 37.6999 38.0066 38.0886 38.3160 38.6478 38.8723 39.1027 39.2727 39.5179 39.8157 39.8952 40.3706 40.4733 40.7473 40.8201 41.0231 41.1391 41.3061 41.5636 41.5855 41.9027 41.9901 42.1211 42.6327 42.6761 42.7088 42.8269 42.9606 43.0693 43.3480 43.4988 43.7769 43.8227 43.9927 44.2600 44.3712 44.4496 44.6752 45.0033 45.0490 45.3541 45.6157 45.7019 46.1857 46.1960 46.5184 46.7372 46.9554 47.2889 47.4335 47.7528 48.0243 48.2967 48.5688 48.8015 49.0561 49.2735 49.5277 49.7354 49.8032 50.3610 50.6212 51.0378 51.4945 51.7745 51.8616 51.9070 52.3535 52.5794 53.0307 54.1560 54.9108 55.2629 55.4918 56.1604 56.4822 57.1982 57.3637 57.8551 58.2065 58.8261 59.4328 59.7965 59.9896 60.1535 60.6313 60.6982 61.2554 61.3401 61.3841 61.7884 61.8616 62.0846 62.4707 62.8301 63.4228 64.1076 64.3772 64.8985 65.6888 66.2628 66.6511 67.6234 68.0539 68.2258 68.8264 69.2758 69.5785 69.7250 70.6933 71.0185 71.2027 71.4490 71.5337 71.8914 71.9359 72.3611 72.6397 72.8189 72.9220 73.2544 73.4350 73.7346 73.8361 74.4411 74.6412 74.9628 75.1307 75.5723 75.6673 76.0460 76.2072 76.4481 77.0989 77.4097 77.6885 78.3712 78.6386 78.9636 79.4151 79.6276 79.7358 79.9024 80.3128 80.4558 80.7465 80.9654 81.1441 81.3916 81.6160 81.9430 82.1575 82.2604 82.5210 82.8907 83.0408 83.2361 83.5242 83.6475 84.4038 84.5527 84.7170 85.0089 85.2841 85.5435 85.9466 86.2515 86.3795 86.5268 86.6411 86.8199 86.9919 87.1096 87.4271 87.5372 87.6238 87.6777 87.9217 88.2498 88.5192 88.5431 88.8170 88.9510 89.2029 89.2665 89.5247 89.6693 89.7491 89.8318 89.8904 90.1174 90.3308 90.4899 90.6845 90.7507 90.8721 91.0480 91.2249 91.3451 91.4967 91.6820 92.0165 92.1737 92.4294 92.5408 92.9465 93.2040 93.2875 93.4799 93.5804 94.1837 94.3661 94.8289 94.8803 95.2887 95.7352 95.9635 96.0736 96.4447 97.2886 97.5088 97.5952 97.7445 97.9374 98.4152 98.5790 99.1477 99.3303 99.7558 99.8314 100.1930 100.5608 100.6382 100.9830 101.0088 101.4342 101.4922 101.9884 101.9942 102.2169 102.8097 102.9664 103.0677 103.2933 103.7713 104.1322 104.3577 104.6834 104.8690 105.0859 105.1806 105.3365 105.8587 105.9412 106.8275 107.0410 107.1401 107.2367 107.5002 107.7735 108.1284 108.3249 108.4341 108.5824 109.0368 109.1912 109.3487 109.4852 109.6514 109.7531 110.0657 110.0808 110.3262 110.7410 110.9631 111.1316 111.3691 111.7827 112.2416 112.4548 112.5855 112.9034 113.0639 113.2869 113.4307 113.6042 113.8430 114.0943 114.1306 114.3843 114.5140 114.6844 114.8689 115.0217 115.2935 115.3932 115.5266 115.8703 116.0289 116.3862 116.7386 116.8636 116.9585 117.1613 117.6275 117.6594 118.1324 118.4567 118.5929 118.7160 118.9451 119.1658 119.6606 119.8361 120.1601 120.2979 120.5753 120.7138 121.0842 121.3544 121.4826 121.5699 121.9310 122.1130 122.2523 122.6890 122.9330 123.0617 123.5206 123.6562 123.9581 124.3302 124.9331 125.3925 125.7467 126.1869 126.9736 127.0252 127.4189 127.5451 128.0382 128.4212 128.8800 129.2686 129.5071 130.1098 130.1994 130.6410 130.6716 130.8585 131.4137 131.8690 132.3206 132.5844 132.9723 133.3392 133.9445 134.1157 134.4506 134.9094 135.5077 135.8112 136.1066 136.2104 136.4088 136.8063 137.1500 137.2662 137.6837 137.8601 138.0097 138.1199 138.6713 138.8797 139.6337 139.7345 140.2466 140.5351 140.9082 141.1341 141.3496 141.3559 141.5250 142.3972 142.6068 142.7725 143.4087 144.5419 145.2033 145.4326 145.5480 146.0141 146.3911 146.6316 147.3390 147.5766 147.7047 148.3246 148.8132 148.8981 149.2205 149.4749 150.0981 150.1564 151.1237 151.2907 151.8396 152.0325 152.1285 152.7389 153.0301 153.2590 153.5310 153.7852 154.0178 154.2962 154.4307 154.6314 154.8876 154.9816 155.1805 155.6328 155.7240 156.6204 156.7388 157.3691 157.6883 158.0774 158.4378 158.5323 158.8313 159.0780 159.6714 160.1596 160.2441 160.4025 160.9842 161.1416 162.2415 162.6050 164.9594 167.5019 170.9925 176.9853 177.3033 182.4480 186.5466 187.3359 188.7649 189.1478 190.0732 193.5714 195.7429 197.9305 207.1957 244.8041 260.2103 260.5012 552.9512 617.8529 636.3264 636.9733 638.9978 639.0699 640.1060 640.9244 641.4874 643.0216 643.7954 646.0184 895.9138 1199.5518 -0.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 S O N C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 0.114719 -0.546703 -0.077423 -0.133763 -0.116929 -0.099707 -0.124829 -0.118880 -0.097608 -0.074232 -0.282543 0.309043 -0.263565 -0.065019 0.063836 0.072800 0.061527 0.084254 0.055218 0.057927 0.081270 0.071349 0.056266 0.055990 0.104048 0.130057 0.053644 0.053895 0.077737 0.077679 0.089813 0.158345 0.171782 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 S O N C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 15.8853 8.5467 7.0774 6.1338 6.1169 6.0997 6.1248 6.1189 6.0976 6.0742 6.2825 5.6910 6.2636 6.0650 0.9362 0.9272 0.9385 0.9157 0.9448 0.9421 0.9187 0.9287 0.9437 0.9440 0.8960 0.8699 0.9464 0.9461 0.9223 0.9223 0.9102 0.8417 0.8282 16.0000 8.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.1147 -0.5467 -0.0774 -0.1338 -0.1169 -0.0997 -0.1248 -0.1189 -0.0976 -0.0742 -0.2825 0.3090 -0.2636 -0.0650 0.0638 0.0728 0.0615 0.0843 0.0552 0.0579 0.0813 0.0713 0.0563 0.0560 0.1040 0.1301 0.0536 0.0539 0.0777 0.0777 0.0898 0.1583 0.1718 2.5591 1.9668 3.0625 3.9105 3.8559 3.8626 3.8477 3.8942 3.8275 3.8711 3.9481 4.2116 3.9146 3.9973 1.0089 1.0097 1.0163 1.0178 1.0110 1.0104 1.0200 1.0069 1.0077 1.0093 1.0281 1.0014 1.0069 1.0065 1.0005 1.0006 1.0044 0.9989 0.9860 2.5591 1.9668 3.0625 3.9105 3.8559 3.8626 3.8477 3.8942 3.8275 3.8711 3.9481 4.2116 3.9146 3.9973 1.0089 1.0097 1.0163 1.0178 1.0110 1.0104 1.0200 1.0069 1.0077 1.0093 1.0281 1.0014 1.0069 1.0065 1.0005 1.0006 1.0044 0.9989 0.9860 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 1.0052 1.2575 1.8254 0.8540 1.1728 0.9438 0.9270 1.0133 1.0097 0.9019 1.0042 1.0072 0.9420 1.0052 1.0020 0.9278 0.9959 1.0179 0.9439 1.0028 1.0058 0.9954 1.0055 0.9403 1.0024 1.0029 0.9956 0.9959 1.0008 1.1137 1.7348 0.9694 0.9372 0 2 0 13 1 11 2 8 2 11 3 4 3 5 3 14 3 15 4 6 4 16 4 17 5 7 5 18 5 19 6 8 6 20 6 21 7 9 7 22 7 23 8 24 8 25 9 10 9 26 9 27 10 28 10 29 10 30 11 12 12 13 12 31 13 32 -0.012673274 -958.878467527854 34.59830 -33.67247 0.92583 -3.07053 4.61889 1.54836 4.12260 -5.19075 -1.06815 2.09655 5.32901